LAMMPS (09 Jan 2020)
units		metal
dimension	3
boundary	p f p

atom_style	atomic
neighbor	2.0 bin

# create geometry

lattice		sc 10
Lattice spacing in x,y,z = 10 10 10
region		box block 0 10 0 10 0 10
create_box	1 box
Created orthogonal box = (0 0 0) to (100 100 100)
  1 by 2 by 2 MPI processor grid
create_atoms	1 box
Created 1000 atoms
  create_atoms CPU = 0 secs

mass		1 39.95

# LJ potentials

pair_style	lj/cut 8.5
pair_coeff	* * 0.01 3.4 8.5

# initial velocities

velocity	all create 300 482748
fix		1 all nve

# diffusive reflection
# upper wall velocity = 0.1, lower wall fixed

fix ywalls all wall/reflect/stochastic diffusive 2308      ylo EDGE 300 0 0 0 yhi EDGE 300 0.1 0 0

# run

thermo		1000
run		10000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 10.5
  ghost atom cutoff = 10.5
  binsize = 5.25, bins = 20 20 20
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair lj/cut, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.085 | 3.09 | 3.096 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0          300            0            0    38.739265    41.378094 
    1000    310.89471  -0.79880791            0    39.347301    43.751589 
    2000    320.50481   -2.0317993            0     39.35527    43.068073 
    3000    318.27899   -2.0007056            0    39.098941    44.164018 
    4000    317.36789   -1.7177074            0    39.264288    46.423062 
    5000    320.35583   -2.1568752            0    39.210956    43.576324 
    6000    320.84464   -2.0723583            0    39.358594     45.13774 
    7000    322.44996   -2.0841776            0    39.554071    45.974409 
    8000    318.71892   -1.8599126            0    39.296544    45.737848 
    9000    317.51275   -1.9303928            0     39.07031    45.138145 
   10000    318.85556   -2.0522739            0    39.121827    44.160918 
Loop time of 0.367009 on 4 procs for 10000 steps with 1000 atoms

Performance: 2354.165 ns/day, 0.010 hours/ns, 27247.276 timesteps/s
97.4% CPU use with 4 MPI tasks x no OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.054003   | 0.071752   | 0.097001   |   6.1 | 19.55
Neigh   | 0.012      | 0.01275    | 0.014      |   0.7 |  3.47
Comm    | 0.14101    | 0.17301    | 0.198      |   5.3 | 47.14
Output  | 0.007      | 0.007      | 0.007      |   0.0 |  1.91
Modify  | 0.045      | 0.060251   | 0.076001   |   5.3 | 16.42
Other   |            | 0.04225    |            |       | 11.51

Nlocal:    250 ave 278 max 220 min
Histogram: 1 0 1 0 0 0 0 0 1 1
Nghost:    270.25 ave 291 max 246 min
Histogram: 1 0 0 0 1 0 0 1 0 1
Neighs:    578.25 ave 719 max 389 min
Histogram: 1 0 0 1 0 0 0 0 0 2

Total # of neighbors = 2313
Ave neighs/atom = 2.313
Neighbor list builds = 96
Dangerous builds = 0
Total wall time: 0:00:00
